CID 86124938

Type iv cyanolipid 18:0 ester

Structural Information

Molecular Formula
C23H41NO2
SMILES
CCCCCCCCCCCCCCCCCC(=O)OC(C#N)C(=C)C
InChI
InChI=1S/C23H41NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(25)26-22(20-24)21(2)3/h22H,2,4-19H2,1,3H3
InChIKey
KBWXCZYLYUSFOU-UHFFFAOYSA-N
Compound name
(1-cyano-2-methylprop-2-enyl) octadecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

363.31372 Da
Monoisotopic Mass

9.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.32100 192.4
[M+Na]+ 386.30294 195.2
[M-H]- 362.30644 190.8
[M+NH4]+ 381.34754 203.9
[M+K]+ 402.27688 191.5
[M+H-H2O]+ 346.31098 178.9
[M+HCOO]- 408.31192 206.1
[M+CH3COO]- 422.32757 231.0
[M+Na-2H]- 384.28839 188.1
[M]+ 363.31317 194.1
[M]- 363.31427 194.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.